BAS 05228631
TL;DR: BAS 05228631 (CAS 494826-16-3) is a chemical compound with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 05228631, AF-399/41340709, F1198-0023, ethyl 4-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C19H19N3O4S2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 3.50894 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0817 |
| Heavy Atoms | 28 |
| Complexity | 1086.9921 |
Chemical Identifiers
| CAS Number | 494826-16-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2 |
Product Overview
BAS 05228631 (CAS 494826-16-3), with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol. IUPAC: ethyl 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 05228631
Property Insights of BAS 05228631
The XLogP value of 3.50894 indicates that BAS 05228631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05228631. Following Lipinski's Rule of Five, BAS 05228631 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05228631?
The CAS number of BAS 05228631 is 494826-16-3.
What is the molecular formula of BAS 05228631?
The molecular formula of BAS 05228631 is C19H19N3O4S2.
What is the molecular weight of BAS 05228631?
The molecular weight of BAS 05228631 is 417.08 g/mol.
Where can I buy BAS 05228631?
You can request a quote for BAS 05228631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05228631?
Yes, KEHONG BIO provides custom synthesis services for BAS 05228631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.